2VDF
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![BU of 2vdf by Molmil](/molmil-images/mine/2vdf) | Structure of the OpcA adhesion from Neisseria meningitidis determined by crystallization from the cubic mesophase | Descriptor: | N-OCTANE, OUTER MEMBRANE PROTEIN, SULFATE ION | Authors: | Cherezov, V, Liu, W, Derrick, J.P, Luan, B, Aksimentiev, A, Katritch, V, Caffrey, M. | Deposit date: | 2007-10-05 | Release date: | 2007-10-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | In meso crystal structure and docking simulations suggest an alternative proteoglycan binding site in the OpcA outer membrane adhesin. Proteins, 71, 2008
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8TY3
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![BU of 8ty3 by Molmil](/molmil-images/mine/8ty3) | MI-31 ligand bound to SARS-CoV-2 Mpro | Descriptor: | (1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-24 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | MI-31 bound to SARS-CoV-2 Mpro To Be Published
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8TY5
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![BU of 8ty5 by Molmil](/molmil-images/mine/8ty5) | MI-14 bound to Mpro of SARS-CoV-2 | Descriptor: | (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-24 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | MI-14 bound to SARS-CoV-2 Mpro To Be Published
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8TY4
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![BU of 8ty4 by Molmil](/molmil-images/mine/8ty4) | MI-30 bound to Mpro of SARS-CoV-2 | Descriptor: | (1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-24 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | MI-30 bound to SARS-CoV-2 Mpro To Be Published
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5UVJ
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![BU of 5uvj by Molmil](/molmil-images/mine/5uvj) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. IUCrJ, 4, 2017
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7CUN
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![BU of 7cun by Molmil](/molmil-images/mine/7cun) | The structure of human Integrator-PP2A complex | Descriptor: | Integrator complex subunit 1, Integrator complex subunit 11, Integrator complex subunit 2, ... | Authors: | Zheng, H, Qi, Y, Liu, W, Li, J, Wang, J, Xu, Y. | Deposit date: | 2020-08-23 | Release date: | 2020-11-25 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Identification of Integrator-PP2A complex (INTAC), an RNA polymerase II phosphatase. Science, 370, 2020
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5AAA
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![BU of 5aaa by Molmil](/molmil-images/mine/5aaa) | Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2015-07-23 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
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4ANS
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![BU of 4ans by Molmil](/molmil-images/mine/4ans) | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | Deposit date: | 2012-03-22 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib To be Published
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8H41
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![BU of 8h41 by Molmil](/molmil-images/mine/8h41) | Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol | Descriptor: | MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase | Authors: | Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X. | Deposit date: | 2022-10-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase Catalysts, 12, 2022
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7Y9M
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![BU of 7y9m by Molmil](/molmil-images/mine/7y9m) | Crystal structure of P450 BM3-2F from Bacillus megaterium | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of P450 BM3-2F from Bacillus megaterium to be published
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7Y9L
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![BU of 7y9l by Molmil](/molmil-images/mine/7y9l) | Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile | Descriptor: | 5-nitro-2-oxidanyl-benzenecarbonitrile, Bifunctional cytochrome P450/NADPH--P450 reductase, NICKEL (II) ION, ... | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile to be published
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4CKV
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![BU of 4ckv by Molmil](/molmil-images/mine/4ckv) | Crystal structure of VEGFR-1 domain 2 in presence of Zn | Descriptor: | 1,2-ETHANEDIOL, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1, ZINC ION | Authors: | Gaucher, J.-F, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Lascombe, M.-B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I. | Deposit date: | 2014-01-09 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.055 Å) | Cite: | Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A Plos One, 11, 2016
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5Z97
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![BU of 5z97 by Molmil](/molmil-images/mine/5z97) | Crystal structure of a lactonase double mutant in complex with ligand N | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein, SULFATE ION | Authors: | Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-02-02 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
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4RWD
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![BU of 4rwd by Molmil](/molmil-images/mine/4rwd) | XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ... | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-02 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
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4RWA
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![BU of 4rwa by Molmil](/molmil-images/mine/4rwa) | Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-01 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
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5Z5J
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![BU of 5z5j by Molmil](/molmil-images/mine/5z5j) | Crystal structure of a lactonase double mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Lactonase for protein | Authors: | Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-01-18 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
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4ZIX
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![BU of 4zix by Molmil](/molmil-images/mine/4zix) | Structure of HEWL using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V. | Deposit date: | 2015-04-28 | Release date: | 2015-08-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase IUCrJ, 2, 2015
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4CL7
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![BU of 4cl7 by Molmil](/molmil-images/mine/4cl7) | Crystal structure of VEGFR-1 domain 2 in presence of Cobalt | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1 | Authors: | Gaucher, J.-F, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Lascombe, M.-B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I. | Deposit date: | 2014-01-13 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A Plos One, 11, 2016
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5ABD
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![BU of 5abd by Molmil](/molmil-images/mine/5abd) | CRYSTAL STRUCTURE OF VEGFR-1 DOMAIN 2 IN PRESENCE OF CU | Descriptor: | COPPER (II) ION, SODIUM ION, SULFATE ION, ... | Authors: | Gaucher, J.-F, Lascombe, M.-B, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I. | Deposit date: | 2015-08-05 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A Plos One, 11, 2016
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8F7W
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![BU of 8f7w by Molmil](/molmil-images/mine/8f7w) | Gi bound kappa-opioid receptor in complex with dynorphin | Descriptor: | CHOLESTEROL, Dynorphin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | Deposit date: | 2022-11-20 | Release date: | 2022-12-14 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structures of the entire human opioid receptor family. Cell, 186, 2023
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8F7X
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![BU of 8f7x by Molmil](/molmil-images/mine/8f7x) | Gi bound nociceptin receptor in complex with nociceptin peptide | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | Deposit date: | 2022-11-20 | Release date: | 2022-12-14 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structures of the entire human opioid receptor family. Cell, 186, 2023
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6J2F
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![BU of 6j2f by Molmil](/molmil-images/mine/6j2f) | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV2 | Descriptor: | HeV2, Ptal-N*01:01, beta-2 microglobulin | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | Deposit date: | 2019-01-01 | Release date: | 2019-09-18 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats. Plos Biol., 17, 2019
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6J06
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![BU of 6j06 by Molmil](/molmil-images/mine/6j06) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08 | Descriptor: | (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1, CALCIUM ION, ... | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-12-21 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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5TRU
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![BU of 5tru by Molmil](/molmil-images/mine/5tru) | Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4 | Descriptor: | Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain | Authors: | Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C. | Deposit date: | 2016-10-27 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7XF3
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![BU of 7xf3 by Molmil](/molmil-images/mine/7xf3) | The structure of HLA-B*1501/BM58-66AF9 | Descriptor: | 9-mer peptide from Matrix protein 1, Beta-2-microglobulin, MHC class I antigen | Authors: | Zhao, Y.Z, Xiao, W.L, Wu, Y.N, Fan, W.F, Yue, C, Zhang, Q.X, Zhang, D.N, Yuan, X.J, Yao, S.J, Liu, S, Li, M, Wang, P.Y, Zhang, H.J, Zhang, J, Zhao, M, Zheng, X.Q, Liu, W.J, Gao, G.F, Liu, W.L. | Deposit date: | 2022-03-31 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Parallel T Cell Immunogenic Regions in Influenza B and A Viruses with Distinct Nuclear Export Signal Functions: The Balance between Viral Life Cycle and Immune Escape. J Immunol., 210, 2023
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